N,N-dimethylethanamine;5-imino-2,2-dimethylhexan-3-one

C12H26N2O — CID 174542988

IUPACN,N-dimethylethanamine;5-imino-2,2-dimethylhexan-3-one
SMILESCCN(C)C.[H]/N=C(\C)CC(=O)C(C)(C)C
InChIInChI=1S/C8H15NO.C4H11N/c1-6(9)5-7(10)8(2,3)4;1-4-5(2)3/h9H,5H2,1-4H3;4H2,1-3H3/b9-6+;
InChIKeyUBEZLZODURALFO-MLBSPLJJSA-N
MW214.35 g/mol
LogP2.60
Rot. Bonds3

About N,N-dimethylethanamine;5-imino-2,2-dimethylhexan-3-one

N,N-dimethylethanamine;5-imino-2,2-dimethylhexan-3-one (PubChem CID 174542988) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N,N-dimethylethanamine;5-imino-2,2-dimethylhexan-3-one.

Molecular Properties

Compound NameN,N-dimethylethanamine;5-imino-2,2-dimethylhexan-3-one
PubChem CID174542988
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN,N-dimethylethanamine;5-imino-2,2-dimethylhexan-3-one
SMILESCCN(C)C.[H]/N=C(\C)CC(=O)C(C)(C)C
InChIInChI=1S/C8H15NO.C4H11N/c1-6(9)5-7(10)8(2,3)4;1-4-5(2)3/h9H,5H2,1-4H3;4H2,1-3H3/b9-6+;
InChIKeyUBEZLZODURALFO-MLBSPLJJSA-N
XLogP2.60
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylethanamine;5-imino-2,2-dimethylhexan-3-one?
The IUPAC name of N,N-dimethylethanamine;5-imino-2,2-dimethylhexan-3-one (CID 174542988) is N,N-dimethylethanamine;5-imino-2,2-dimethylhexan-3-one.
What is the SMILES notation for N,N-dimethylethanamine;5-imino-2,2-dimethylhexan-3-one?
The canonical SMILES for N,N-dimethylethanamine;5-imino-2,2-dimethylhexan-3-one is CCN(C)C.[H]/N=C(\C)CC(=O)C(C)(C)C.
What is the InChIKey of N,N-dimethylethanamine;5-imino-2,2-dimethylhexan-3-one?
The InChIKey is UBEZLZODURALFO-MLBSPLJJSA-N. The full InChI is InChI=1S/C8H15NO.C4H11N/c1-6(9)5-7(10)8(2,3)4;1-4-5(2)3/h9H,5H2,1-4H3;4H2,1-3H3/b9-6+;.
What are the key properties of N,N-dimethylethanamine;5-imino-2,2-dimethylhexan-3-one?
N,N-dimethylethanamine;5-imino-2,2-dimethylhexan-3-one has a molecular weight of 214.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylethanamine;5-imino-2,2-dimethylhexan-3-one is sourced from PubChem (CID 174542988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).